tert-butyl (3R)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]octanoate

Systemtic Name: tert-butyl (3R)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]octanoate Openeye Name: tert-butyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]octanoate CAS Name: (3R)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]octanoate Traditional Name: (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]caprylic acid tert-butyl ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H](CC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C27H39NO2/c1-6-7-10-19-25(20-26(29)30-27(3,4)5)28(21-23-15-11-8-12-16-23)22(2)24-17-13-9-14-18-24/h8-9,11-18,22,25H,6-7,10,19-21H2,1-5H3/t22-,25-/m1/s1